6PET

Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha

Summary for 6PET

• Entry DOI: 10.2210/pdb6pet/pdb
• Descriptor: Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, ... (6 entities in total)
• Functional Keywords: hormone receptor, ligand, breast cancer, drug, antagonist, nuclear protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 129870.36

Authors

Kiefer, J.R.,Vinogradova, M.,Liang, J.,Wang, X.,Zbieg, J.,Labadie, S.S.,Zhang, B.,Li, J.,Liang, W. (deposition date: 2019-06-20, release date: 2019-07-17, Last modification date: 2024-04-03)

• Primary citation: Labadie, S.S.,Li, J.,Blake, R.A.,Chang, J.H.,Goodacre, S.,Hartman, S.J.,Liang, W.,Kiefer, J.R.,Kleinheinz, T.,Lai, T.,Liao, J.,Ortwine, D.F.,Mody, V.,Ray, N.C.,Roussel, F.,Vinogradova, M.,Yeap, S.K.,Zhang, B.,Zheng, X.,Zbieg, J.R.,Liang, J.,Wang, X.; Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.; Bioorg.Med.Chem.Lett., 29:2090-2093, 2019; PubMed: 31311734; DOI: 10.1016/j.bmcl.2019.07.013

Experimental method

X-RAY DIFFRACTION (2.203 Å)